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State	Conformation	minimum conformation	conformer description	state description
1	1	yes	CS	²A^'
1	2	no	C*V	²Σ

	hartrees
Energy at 0K	-89.566844
Energy at 298.15K	-89.566476
HF Energy	-89.566844
Nuclear repulsion energy	17.405600

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3791	3723	178.86
2	Σ	1400	1375	47.59
3	Π	244	240	198.45
3	Π	244	240	198.45

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.353
Be2	0.000	0.000	-1.039
H3	0.000	0.000	1.327

	O1	Be2	H3
O1		1.3921	0.9739
Be2	1.3921		2.3660
H3	0.9739	2.3660

All results from a given calculation for BeOH (beryllium monohydroxide)

using model chemistry: LSDA/3-21G*

States and conformations

Conformer 1 (CS)

Conformer 2 (C*V)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3793	3724	178.90
2	Σ	1400	1375	47.61
3	Π	240	235	198.48
3	Π	240	235	198.48

Number	Element	Mulliken
1	O	-0.585
2	Be	0.179
3	H	0.406

	x	y	z	Total
	0.000	0.000	2.310	2.310
CHELPG
AIM
ESP

<r²>	14.405
(<r²>)^1/2	3.795

	O1	Be2	H3
O1		1.3922	0.9738
Be2	1.3922		2.3660
H3	0.9738	2.3660